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15794-45-3 | 1,3-Benzodioxole-5-carboxaldehyde, 4-methoxy-6-nitro-
CAS No: 15794-45-3 Catalog No: AG001PUW MDL No:
Product Description
Catalog Number:
AG001PUW
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 4-methoxy-6-nitro-
CAS Number:
15794-45-3
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
IUPAC Name:
4-methoxy-6-nitro-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO6/c1-14-8-5(3-11)6(10(12)13)2-7-9(8)16-4-15-7/h2-3H,4H2,1H3
InChI Key:
JFTQXXCDEPEUEU-UHFFFAOYSA-N
SMILES:
O=Cc1c(OC)c2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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